4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide

C15H18N2O4S — CID 834460

IUPAC4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C15H18N2O4S/c1-20-14-8-3-11(9-15(14)21-2)10-17-12-4-6-13(7-5-12)22(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19)
InChIKeyNWKIKRYRNPYMHH-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.96
Rot. Bonds6

About 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide

4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide (PubChem CID 834460) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide
PubChem CID834460
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide
SMILESCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C15H18N2O4S/c1-20-14-8-3-11(9-15(14)21-2)10-17-12-4-6-13(7-5-12)22(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19)
InChIKeyNWKIKRYRNPYMHH-UHFFFAOYSA-N
XLogP1.96
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide (CID 834460) is 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide is COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is NWKIKRYRNPYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-20-14-8-3-11(9-15(14)21-2)10-17-12-4-6-13(7-5-12)22(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide?
4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 834460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).